Rattling Vibrations Observed by Means of Single-Crystal X-ray Diffraction in the Filled Skutterudite Ros_4Sb_12 (R = La, Ce, Pr, Nd, Sm)
Rattling Vibrations Observed by Means of Single-Crystal X-ray Diffraction in the Filled Skutterudite Ros_4Sb_12 (R = La, Ce, Pr, Nd, Sm)
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通过单晶 X 射线衍射观察到填充方钴矿 Ros_4Sb_12 (R = La、Ce、Pr、Nd、Sm) 中的嘎嘎振动
DOI：
10.1143/jpsj.80.054601
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
Z. Hiroi
中科院分区：
文献类型：
--
作者：
J. Yamaura;Z. Hiroi
我们制备了一系列高质量的填充锂钛矿RO4Sb12(R=La，Ce，Pr，Nd，Sm)单晶，并进行了精确的X射线结构分析，研究了客体R原子的晶体结构与振动的关系。结果表明，在由Sb构成的笼子中，随着客体自由空间从La到Sm的增加，Therion的热位移参数增加，而代表嘎嘎声特征能量的爱因斯坦温度下降。观察到电子密度的各向异性分布，特别是小核子，这表明沿[111]方向存在很大的非谐性，这反映了Sb笼的特殊形状。
We prepared a series of high-quality single crystals of the filled skutteruditeROs4Sb12(R= La, Ce, Pr, Nd, Sm) and performed precise X-ray structural analyses to investigate the relation between the crystal structure and rattling vibration of the guestRatoms. The results revealed that in a cage made of Sb, with increasing guest free space from La to Sm, the thermal displacement parameter of theRion increases and the Einstein temperature, which represents the characteristic energy of the rattling, decreases. Anisotropic distribution of the electron density was observed, in particular for smallRions, which indicates that there is large anharmonicity along the [111] direction that reflects the specific shape of the Sb cage.